(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide

C16H17N3O2S — CID 95158933

IUPAC(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cc1
InChIInChI=1S/C16H17N3O2S/c17-8-11-4-6-13(7-5-11)18-15(20)14-9-22-10-19(14)16(21)12-2-1-3-12/h4-7,12,14H,1-3,9-10H2,(H,18,20)/t14-/m1/s1
InChIKeyONCRXUSWPVTVHC-CQSZACIVSA-N
MW315.40 g/mol
LogP2.20
Rot. Bonds3

About (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95158933) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95158933
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cc1
InChIInChI=1S/C16H17N3O2S/c17-8-11-4-6-13(7-5-11)18-15(20)14-9-22-10-19(14)16(21)12-2-1-3-12/h4-7,12,14H,1-3,9-10H2,(H,18,20)/t14-/m1/s1
InChIKeyONCRXUSWPVTVHC-CQSZACIVSA-N
XLogP2.20
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95156736
(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 95308769
(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95327247
(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95614265
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-(2-chloro-5-nitrobenzoyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530411
N-(4-cyanophenyl)-3-(2-isoquinolin-5-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 166356156
3-(1-chloroisoquinoline-3-carbonyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530096
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 95154199
(4R)-3-(cyclobutanecarbonyl)-N-(dicyclopropylmethyl)-1,3-thiazolidine-4-carboxamide
CID 97068575
(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide
CID 95787413

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide (CID 95158933) is (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide is N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cc1.
What is the InChIKey of (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ONCRXUSWPVTVHC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O2S/c17-8-11-4-6-13(7-5-11)18-15(20)14-9-22-10-19(14)16(21)12-2-1-3-12/h4-7,12,14H,1-3,9-10H2,(H,18,20)/t14-/m1/s1.
What are the key properties of (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95158933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).